Evaluation of the band-gap of Ruddlesden-Popper tantalates

Computational Materials Science

Volumn 93, Issue , 2014, Pages 160-163

  Ramirez De Arellano, J M ^a   Ruiz Chavarría, Sabina ^a   Valencia Sánchez, Hoover ^c   Tavizon, Gustavo ^b   De La Mora, Pablo ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b Universidad Nacional Autonoma de Mexico Facultad de Quimica   (Mexico)

^c UNIVERSIDAD TECNOLÓGICA DE PEREIRA   (Colombia)

Author keywords

Band gap; Density Functional Theory; Layered materials; Photocatalysis; Tantalates

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; HYDROGEN PRODUCTION; PHOTOCATALYSIS; TANTALUM OXIDES;

ELECTRONIC STRUCTURE CALCULATIONS; LANTHANIDE ATOMS; LAYERED MATERIAL; LINEARIZED AUGMENTED PLANE WAVES; PHOTOCATALYTIC PROCESS; RUDDLESDEN-POPPER; RUDDLESDEN-POPPER SERIES; TANTALATES;

PRASEODYMIUM;

EID: 84904870028     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.06.043     Document Type: Article

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